cis-4-Chloro-2-butenylamine hydrochloride

Base Information

• Chemical Name: cis-4-Chloro-2-butenylamine hydrochloride
• CAS No.: 7153-66-4
• Molecular Formula: C4H8 Cl N . Cl H
• Molecular Weight: 142.028
• Hs Code.: 2921199090
• European Community (EC) Number: 626-721-6
• NSC Number: 51333
• Mol file: 7153-66-4.mol

Synonyms:7153-66-4;cis-4-Chloro-2-butenylamine hydrochloride;(Z)-4-chloro-2-butenylamine hydrochloride;(Z)-4-chlorobut-2-en-1-amine;hydrochloride;(Z)-4-chlorobut-2-en-1-aMine (Hydrochloride);SCHEMBL4717996;ZGCNYBMDGKVWFH-ODZAUARKSA-N;CS-M0797;NSC51333;NSC-51333;AKOS024386597;AS-65267;(Z)-4-chlorobut-2-en-1-amineHydrochloride;cis-4-Chloro-2-butenylamine hydrochloride, 95%;(2Z)-4-CHLOROBUT-2-EN-1-AMINE HYDROCHLORIDE

Chemical Property of cis-4-Chloro-2-butenylamine hydrochloride

Chemical Property:

• Vapor Pressure: 1.33mmHg at 25°C
• Melting Point: 125-131oC
• Boiling Point: 172.5°Cat760mmHg
• Flash Point: 58.1°C
• PSA: 26.02000
• Density: 1.022g/cm³
• LogP: 2.24240
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 141.0112047
• Heavy Atom Count: 7
• Complexity: 42.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

cis-4-Chloro-2-butenylamine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C=CCCl)N.Cl
• Isomeric SMILES: C(/C=C\CCl)N.Cl
• Uses: cis-4-Chloro-2-butenylamine Hydrochloride is a chemokine CXCR4 receptor modulators

Technology Process of cis-4-Chloro-2-butenylamine hydrochloride

There total 1 articles about cis-4-Chloro-2-butenylamine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

1-<(Z)-4-Chloro-2-butenyl>-1-azonia-3,5,7-triazatricyclo<3.3.1.1.3,7>decane chloride (117175-09-4) → <(Z)-4-chloro-2-butenyl>ammonium chloride (7153-66-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 18h; Ambient temperature;

DOI:10.1021/jo00053a053

Reference yield: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + <(Z)-4-chloro-2-butenyl>ammonium chloride (7153-66-4) → cis-tert-butoxycarbonyl-4-chloro-2-butenyl-1-amine (123642-28-4,558443-28-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 6h;

DOI:10.1055/s-0035-1561608

Reference yield: 75.0%

<(Z)-4-chloro-2-butenyl>ammonium chloride (7153-66-4) → 3-Pyrroline (109-96-6,760178-50-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; Reflux;

DOI:10.15227/orgsyn.073.0246

upstream raw materials:

1-<(Z)-4-Chloro-2-butenyl>-1-azonia-3,5,7-triazatricyclo<3.3.1.1.^3,7>decane chloride

Downstream raw materials:

3-Pyrroline

2,5-dihydro-1H-pyrrole hydrochloride

cis-tert-butoxycarbonyl-4-chloro-2-butenyl-1-amine

(E)-1-chloro-4--2-butene

Refernces

• 1、 Duguet, Nicolas,Petit, Sylvain M.,Marchand, Philippe,Harrison-Marchand, Anne,Maddaluno, Jacques. "Heterocyclic lithium amides as chiral ligands for an enantioselective hydroxyalkylation with n-BuLi". . p. 5397 - 5409. Retrieved 2008/12/21.
• 2、 Warmus, Joseph S.,Dilley, Garrett J.,Meyers, A. I.. "A Modified Procedure for the Preparation of 2,5-Dihydropyrrole (3-Pyrroline)". . p. 270 - 271. Retrieved 2007/10/02.